[(2S)-4-[4-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethoxy]phenyl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-[4-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethoxy]phenyl]butan-2-yl]azanium Openeye Name: [(1S)-3-[4-[2-(cyclopropylmethylamino)-2-oxo-ethoxy]phenyl]-1-methyl-propyl]ammonium CAS Name: [(2S)-4-[4-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-[4-[2-(cyclopropylmethylamino)-2-oxoethoxy]phenyl]butan-2-yl]azanium Traditional Name: [(1S)-3-[4-[2-(cyclopropylmethylamino)-2-keto-ethoxy]phenyl]-1-methyl-propyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OCC(=O)NCC2CC2)[NH3+]

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OCC(=O)NCC2CC2)[NH3+]

InChI

InChI=1S/C16H24N2O2/c1-12(17)2-3-13-6-8-15(9-7-13)20-11-16(19)18-10-14-4-5-14/h6-9,12,14H,2-5,10-11,17H2,1H3,(H,18,19)/p+1/t12-/m0/s1